SCHEMBL2762743

SCHEMBL2762743

COc1cccc2c1Sc1ccc([N+](=O)[O-])cc1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 9/20 0.41
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 2/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RECQL P46063 2/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3160546 0.81 MEN1 (0.40) TDP1MAPTLMNAALDH1A1KMT2A
SCHEMBL2763031 0.78 BLM (0.43) HTTMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL9641625 0.70 TDP2 (0.46) TDP1MAPTLMNAALDH1A1KMT2A
SCHEMBL2763156 0.68 CA12 (0.40) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL28445445 0.67 TLR9 (0.44) TDP1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL4325597 0.66 AKR1C3 (0.55) HTTTDP1MAPTLMNASMN1; SMN2
SCHEMBL8204482 0.66 BLM (0.62) HTTMAPTLMNAALDH1A1HPGD
SCHEMBL8928040 0.66 LMNA (0.55) HTTTDP1MAPTLMNASMN1; SMN2
Ammonia Solution, Strong SCHEMBL28445447 0.65 ALDH1A1 (0.45) TDP1MAPTLMNAALDH1A1KMT2A
SCHEMBL527567 0.65 HTT (0.72) HTTTDP1MAPTLMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485377-B9 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2010-10-06 EP disclosed
EP-1485377-B9 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2010-10-06 EP disclosed
EP-2174939-A1 Pyranones useful as ATM inhibitors Kudos Pharmaceuticals Limited (GB) 2010-04-14 EP disclosed
EP-2174939-A1 Pyranones useful as ATM inhibitors Kudos Pharmaceuticals Limited (GB) 2010-04-14 EP disclosed
EP-1485377-B1 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2009-12-09 EP disclosed
EP-1485377-B1 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2009-12-09 EP disclosed
US-7049313-B2 ATM inhibitors KUDOS PHARMACEUTICALS LTD. (GB) 2006-05-23 US disclosed
EP-1485377-A1 PYRANONES USEFUL AS ATM INHIBITORS Kudos Pharmaceuticals Limited (GB) 2004-12-15 EP disclosed
US-20040002492-A1 Induce immunology response; anticancer agents KUDOS PHARMACEUTICALS LTD (GB) 2004-01-01 US disclosed
WO-2003070726-A1 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARMACEUTICALS LTD (GB) 2003-08-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040002492-A1 Induce immunology response; anticancer agents MYD88, IFNG, HCCS HTT 4873/4885TDP1 4493/4885MAPT 4832/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.